3-Amino-1-propanol - ≥99% , CAS No.156-87-6

CAS: 156-87-6 Cat. No.: A106068 Peso molecular: 75.11 Beilstein Registry Number: 741855 Número EC: 205-864-4

GRADE & PURITY ≥99%

Synonyms

NSC 7766; Propanolamine | .GAMMA.-HYDROXY-1-PROPYLAMINE | 3-amino-1propanol | 3-Amino-1-propanol | 3amino-1-propanol | AI3-25439 | 3-Hydroxy-1-propylamine | 3-Propanolamine | STR03558 | CHEBI:143408 | EN300-16772 | DEXPANTHENOL IMPURITY A [EP IMPURITY] |

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

3-Amino-1-propanol is a linear primary alkanolamine.

3-Amino-1-propanol was used in the synthesis of di-tert-butyl aminopropanol derivative.

Specifications

Sinónimos

NSC 7766; Propanolamine | .GAMMA.-HYDROXY-1-PROPYLAMINE | 3-amino-1propanol | 3-Amino-1-propanol | 3amino-1-propanol | AI3-25439 | 3-Hydroxy-1-propylamine | 3-Propanolamine | STR03558 | CHEBI:143408 | EN300-16772 | DEXPANTHENOL IMPURITY A [EP IMPURITY] |

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504751790
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751790
• Sonrisas canónicas: C(CN)CO
• IUPAC Name: 3-aminopropan-1-ol
• InChIKey: WUGQZFFCHPXWKQ-UHFFFAOYSA-N
• INCHI: 1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
• Isómeros SMILES: C(CN)CO
• WGK Alemania: 1
• RTECS: UA5600000
• Número ONU: 2735
• Grupo de embalaje: I
• Peso molecular: 75.11
• Beilstein: 741855
• Reaxy-Rn: 741855
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741855&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,3-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,3-aminoalcohols
• Alternative Parents: Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: It can be miscible with water, alcohol, ether, acetone, and chloroform, and slightly soluble in aromatic and aliphatic hydrocarbons. It has hygroscopicity. Slightly ammonia flavored, it can be used to synthesize drugs such as cyclophosphamide and propanol
• Sensibilidad: Hygroscopic.
• Punto de congelación (°C): 11 °C
• Índice de refracción: 1.46
• Punto de inflamación (°C): 79°C
• Punto de ebullición (°C): 187-188°C
• Punto de fusión (°C): 12.4°C
• Peso molecular: 75.110 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 75.0684 Da
• Monoisotopic Mass: 75.0684 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 16.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

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